{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001650","ANALYSIS_ID":"AN002696","VERSION":"1","CREATED_ON":"January 13, 2021, 11:00 am"},

"PROJECT":{"PROJECT_TITLE":"Clostridium difficile toxin production in vivo","PROJECT_SUMMARY":"Gnotobiotic mice harboring a defined community of bacteria were infected with wild-type Clostridium difficile R20291, its isogenic triple-toxin knockout mutant, or uninfected. Cecal contents were collected for untargeted GC-TOF MS.","INSTITUTE":"Stanford University","DEPARTMENT":"Microbiology & Immunology","LABORATORY":"Sonnenburg","LAST_NAME":"University","FIRST_NAME":"Stanford","ADDRESS":"299 Campus Drive Fairchild Building Rm D315","EMAIL":"kmpruss@stanford.edu","PHONE":"6507212961"},

"STUDY":{"STUDY_TITLE":"Changes to gut microbiota metabolism based on Clostridium difficile-induced inflammation","STUDY_SUMMARY":"Determine changes to metabolites in lumen (cecal contents) of mice due to toxin production by Clostridium difficile R20291.","INSTITUTE":"Stanford University","DEPARTMENT":"Microbiology & Immunology","LABORATORY":"Sonnenburg","LAST_NAME":"University","FIRST_NAME":"Stanford","ADDRESS":"299 Campus Drive Fairchild Building Rm D315","EMAIL":"kmpruss@stanford.edu","PHONE":"6507212961","NUM_GROUPS":"3","TOTAL_SUBJECTS":"14"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"Swiss Webster"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Ctrl1_009",
"Factors":{"Colonization":"Ctrl"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa19_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Ctrl2_010",
"Factors":{"Colonization":"Ctrl"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa11_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Ctrl3_011",
"Factors":{"Colonization":"Ctrl"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa20_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Ctrl4_012",
"Factors":{"Colonization":"Ctrl"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa33_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Tox1_018",
"Factors":{"Colonization":"Tox-"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa21_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Tox2_019",
"Factors":{"Colonization":"Tox-"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa25_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Tox3_020",
"Factors":{"Colonization":"Tox-"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa36_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Tox4_021",
"Factors":{"Colonization":"Tox-"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa10_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.Tox5_022",
"Factors":{"Colonization":"Tox-"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa13_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.WT3_015",
"Factors":{"Colonization":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa23_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.WT4_016",
"Factors":{"Colonization":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa17_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.WT5_017",
"Factors":{"Colonization":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa09_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.WT1_013",
"Factors":{"Colonization":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa35_1"}
},
{
"Subject ID":"-",
"Sample ID":"KP_JS_C08.WT2_014",
"Factors":{"Colonization":"WT"},
"Additional sample data":{"RAW_FILE_NAME":"180621aJKsa24_1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal contents from gnotobiotic mice were collected under sterile conditions, flash-frozen in liquid nitrogen and stored at -80 C.","SAMPLE_TYPE":"Feces","STORAGE_VIALS":"-80"},

"TREATMENT":{"TREATMENT_SUMMARY":"Swiss Webster germ-free mice were tri-colonized with Bacteroides thetaiotaomicron, Clostridium sporogenes and Escherichia coli for 10 days. Mice were subsequently infected with wild-type Clostridium difficile R20291 (n=5), the isogenic toxin-deficient mutant TcdA-B-CDT- (n=5), or gavaged with PBS as an uninfected control (n=4). Cecal contents were colleged 5 days after C. difficile infection."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolites were extracted according to the methodology described in Fiehn 2017 Curr Protoc Mol Biol. ; 114: 30.4.1–30.4.32. doi:10.1002/0471142727.mb3004s114. Briefly, 1 mL 3:3:2 acetonitrile:isopropanol:water was added to ~4 mg cecal contents/feces. Samples were homogenized and then shaken at 4 C for 6 min prior to centrifugation at 14,000 x g for 2 minutes. An aliquot of 475 µl supernatant was taken for subsequent analysis, evaporated, cleaned with acetonitrile and water (1:1), and fully evaporated to dryness. 10 µl MeOH and 91 µl MSTFA were added to all samples for derivatization."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Agilent 6890 GC is equipped with a Gerstel automatic liner exchange system (ALEX) that includes a multipurpose sample (MPS2) dual rail, and a Gerstel CIS cold injection system (Gerstel, Muehlheim, Germany) with temperature program as follows: 50°C to 275°C final temperature at a rate of 12 °C/s and hold for 3 minutes. Injection volume is 0.5 μl with 10 μl/s injection speed on a splitless injector with purge time of 25 seconds. Liner (Gerstel #011711-010-00) is changed after every 10 samples, (using the Maestro1 Gerstel software vs. 1.1.4.18). Before and after each injection, the 10 μl injection syringe is washed three times with 10 μl ethyl acetate A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 μm 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 m integrated guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium with built-in purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. The oven temperature is held constant at 50°C for 1 min and then ramped at 20°C/min to 330°C at which it is held constant for 5 min.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890 GC","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)","FLOW_RATE":"1 ml/min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Fiehn"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus IV TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"A Leco Pegasus IV time of flight mass spectrometer is controlled by the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line temperature between gas chromatograph and mass spectrometer is set to 280°C. Electron impact ionization at 70V is employed with an ion source temperature of 250°C. Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 Da.","MS_RESULTS_FILE":"ST001650_AN002696_Results.txt UNITS:preak area Has m/z:No Has RT:No RT units:No RT data"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"xylose","KP_JS_C08.Ctrl1_009":"26925","KP_JS_C08.Ctrl2_010":"16338","KP_JS_C08.Ctrl3_011":"28617","KP_JS_C08.Ctrl4_012":"29345","KP_JS_C08.Tox1_018":"74662","KP_JS_C08.Tox2_019":"55029","KP_JS_C08.Tox3_020":"50703","KP_JS_C08.Tox4_021":"45337","KP_JS_C08.Tox5_022":"50628","KP_JS_C08.WT3_015":"31969","KP_JS_C08.WT4_016":"56018","KP_JS_C08.WT5_017":"80422","KP_JS_C08.WT1_013":"31962","KP_JS_C08.WT2_014":"11540"},{"Metabolite":"xylitol","KP_JS_C08.Ctrl1_009":"18176","KP_JS_C08.Ctrl2_010":"15769","KP_JS_C08.Ctrl3_011":"14002","KP_JS_C08.Ctrl4_012":"13898","KP_JS_C08.Tox1_018":"1656","KP_JS_C08.Tox2_019":"463","KP_JS_C08.Tox3_020":"337","KP_JS_C08.Tox4_021":"642","KP_JS_C08.Tox5_022":"623","KP_JS_C08.WT3_015":"319","KP_JS_C08.WT4_016":"471","KP_JS_C08.WT5_017":"810","KP_JS_C08.WT1_013":"666","KP_JS_C08.WT2_014":"116"},{"Metabolite":"xanthine","KP_JS_C08.Ctrl1_009":"642","KP_JS_C08.Ctrl2_010":"882","KP_JS_C08.Ctrl3_011":"1816","KP_JS_C08.Ctrl4_012":"981","KP_JS_C08.Tox1_018":"635","KP_JS_C08.Tox2_019":"659","KP_JS_C08.Tox3_020":"1550","KP_JS_C08.Tox4_021":"9386","KP_JS_C08.Tox5_022":"2409","KP_JS_C08.WT3_015":"2179","KP_JS_C08.WT4_016":"1473","KP_JS_C08.WT5_017":"1213","KP_JS_C08.WT1_013":"613","KP_JS_C08.WT2_014":"200"},{"Metabolite":"vanillic acid","KP_JS_C08.Ctrl1_009":"958","KP_JS_C08.Ctrl2_010":"721","KP_JS_C08.Ctrl3_011":"1028","KP_JS_C08.Ctrl4_012":"1092","KP_JS_C08.Tox1_018":"1170","KP_JS_C08.Tox2_019":"741","KP_JS_C08.Tox3_020":"1238","KP_JS_C08.Tox4_021":"607","KP_JS_C08.Tox5_022":"1054","KP_JS_C08.WT3_015":"1110","KP_JS_C08.WT4_016":"1403","KP_JS_C08.WT5_017":"1130","KP_JS_C08.WT1_013":"807","KP_JS_C08.WT2_014":"654"},{"Metabolite":"valine","KP_JS_C08.Ctrl1_009":"19758","KP_JS_C08.Ctrl2_010":"31588","KP_JS_C08.Ctrl3_011":"57534","KP_JS_C08.Ctrl4_012":"27770","KP_JS_C08.Tox1_018":"38497","KP_JS_C08.Tox2_019":"22290","KP_JS_C08.Tox3_020":"34611","KP_JS_C08.Tox4_021":"33770","KP_JS_C08.Tox5_022":"71515","KP_JS_C08.WT3_015":"54384","KP_JS_C08.WT4_016":"74537","KP_JS_C08.WT5_017":"91901","KP_JS_C08.WT1_013":"50635","KP_JS_C08.WT2_014":"25036"},{"Metabolite":"urocanic 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acid","KP_JS_C08.Ctrl1_009":"254","KP_JS_C08.Ctrl2_010":"322","KP_JS_C08.Ctrl3_011":"396","KP_JS_C08.Ctrl4_012":"240","KP_JS_C08.Tox1_018":"535","KP_JS_C08.Tox2_019":"239","KP_JS_C08.Tox3_020":"319","KP_JS_C08.Tox4_021":"372","KP_JS_C08.Tox5_022":"383","KP_JS_C08.WT3_015":"505","KP_JS_C08.WT4_016":"565","KP_JS_C08.WT5_017":"1117","KP_JS_C08.WT1_013":"529","KP_JS_C08.WT2_014":"401"},{"Metabolite":"urea","KP_JS_C08.Ctrl1_009":"376123","KP_JS_C08.Ctrl2_010":"303779","KP_JS_C08.Ctrl3_011":"202026","KP_JS_C08.Ctrl4_012":"410273","KP_JS_C08.Tox1_018":"510015","KP_JS_C08.Tox2_019":"375240","KP_JS_C08.Tox3_020":"481736","KP_JS_C08.Tox4_021":"400732","KP_JS_C08.Tox5_022":"365172","KP_JS_C08.WT3_015":"393620","KP_JS_C08.WT4_016":"440979","KP_JS_C08.WT5_017":"532223","KP_JS_C08.WT1_013":"345202","KP_JS_C08.WT2_014":"336046"},{"Metabolite":"uracil","KP_JS_C08.Ctrl1_009":"3872","KP_JS_C08.Ctrl2_010":"2333","KP_JS_C08.Ctrl3_011":"12802","KP_JS_C08.Ctrl4_012":"9638","KP_JS_C08.Tox1_018":"8955","KP_JS_C08.Tox2_019":"6981","KP_JS_C08.Tox3_020":"13166","KP_JS_C08.Tox4_021":"94343","KP_JS_C08.Tox5_022":"12977","KP_JS_C08.WT3_015":"11019","KP_JS_C08.WT4_016":"6377","KP_JS_C08.WT5_017":"6436","KP_JS_C08.WT1_013":"3407","KP_JS_C08.WT2_014":"1160"},{"Metabolite":"UDP-glucuronic 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GlcNAc","KP_JS_C08.Ctrl1_009":"140","KP_JS_C08.Ctrl2_010":"121","KP_JS_C08.Ctrl3_011":"173","KP_JS_C08.Ctrl4_012":"225","KP_JS_C08.Tox1_018":"190","KP_JS_C08.Tox2_019":"92","KP_JS_C08.Tox3_020":"206","KP_JS_C08.Tox4_021":"154","KP_JS_C08.Tox5_022":"191","KP_JS_C08.WT3_015":"163","KP_JS_C08.WT4_016":"259","KP_JS_C08.WT5_017":"100","KP_JS_C08.WT1_013":"165","KP_JS_C08.WT2_014":"1173"},{"Metabolite":"tyrosine","KP_JS_C08.Ctrl1_009":"12050","KP_JS_C08.Ctrl2_010":"29724","KP_JS_C08.Ctrl3_011":"42022","KP_JS_C08.Ctrl4_012":"15463","KP_JS_C08.Tox1_018":"26011","KP_JS_C08.Tox2_019":"16393","KP_JS_C08.Tox3_020":"25350","KP_JS_C08.Tox4_021":"99130","KP_JS_C08.Tox5_022":"47688","KP_JS_C08.WT3_015":"45869","KP_JS_C08.WT4_016":"50518","KP_JS_C08.WT5_017":"56033","KP_JS_C08.WT1_013":"42202","KP_JS_C08.WT2_014":"28797"},{"Metabolite":"tryptophan","KP_JS_C08.Ctrl1_009":"5431","KP_JS_C08.Ctrl2_010":"8874","KP_JS_C08.Ctrl3_011":"12783","KP_JS_C08.Ctrl4_012":"7861","KP_JS_C08.Tox1_018":"9426","KP_JS_C08.Tox2_019":"5940","KP_JS_C08.Tox3_020":"8808","KP_JS_C08.Tox4_021":"11752","KP_JS_C08.Tox5_022":"16607","KP_JS_C08.WT3_015":"13615","KP_JS_C08.WT4_016":"17188","KP_JS_C08.WT5_017":"25566","KP_JS_C08.WT1_013":"8454","KP_JS_C08.WT2_014":"3984"},{"Metabolite":"trehalose","KP_JS_C08.Ctrl1_009":"2695","KP_JS_C08.Ctrl2_010":"2881","KP_JS_C08.Ctrl3_011":"2806","KP_JS_C08.Ctrl4_012":"3093","KP_JS_C08.Tox1_018":"3325","KP_JS_C08.Tox2_019":"2288","KP_JS_C08.Tox3_020":"3121","KP_JS_C08.Tox4_021":"2277","KP_JS_C08.Tox5_022":"1975","KP_JS_C08.WT3_015":"1551","KP_JS_C08.WT4_016":"2453","KP_JS_C08.WT5_017":"6175","KP_JS_C08.WT1_013":"3858","KP_JS_C08.WT2_014":"30624"},{"Metabolite":"trans-4-hydroxyproline","KP_JS_C08.Ctrl1_009":"4395","KP_JS_C08.Ctrl2_010":"6733","KP_JS_C08.Ctrl3_011":"3592","KP_JS_C08.Ctrl4_012":"3323","KP_JS_C08.Tox1_018":"4283","KP_JS_C08.Tox2_019":"22171","KP_JS_C08.Tox3_020":"3573","KP_JS_C08.Tox4_021":"4014","KP_JS_C08.Tox5_022":"5836","KP_JS_C08.WT3_015":"8863","KP_JS_C08.WT4_016":"8662","KP_JS_C08.WT5_017":"7670","KP_JS_C08.WT1_013":"2396","KP_JS_C08.WT2_014":"3129"},{"Metabolite":"tocopherol 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"Metabolites":[{"metabolite_name":"xylose"},{"metabolite_name":"xylitol"},{"metabolite_name":"xanthine"},{"metabolite_name":"vanillic acid"},{"metabolite_name":"valine"},{"metabolite_name":"urocanic acid"},{"metabolite_name":"uridine"},{"metabolite_name":"uric acid"},{"metabolite_name":"urea"},{"metabolite_name":"uracil"},{"metabolite_name":"UDP-glucuronic acid"},{"metabolite_name":"UDP GlcNAc"},{"metabolite_name":"tyrosine"},{"metabolite_name":"tryptophan"},{"metabolite_name":"trehalose"},{"metabolite_name":"trans-4-hydroxyproline"},{"metabolite_name":"tocopherol gamma-"},{"metabolite_name":"tocopherol alpha-"},{"metabolite_name":"tocopherol acetate"},{"metabolite_name":"thymine"},{"metabolite_name":"thymidine"},{"metabolite_name":"threonine"},{"metabolite_name":"threonic acid"},{"metabolite_name":"tagatose"},{"metabolite_name":"sucrose"},{"metabolite_name":"succinic acid"},{"metabolite_name":"stigmasterol"},{"metabolite_name":"stearic acid"},{"metabolite_name":"sorbitol"},{"metabolite_name":"sinapinic acid"},{"metabolite_name":"shikimic acid"},{"metabolite_name":"serine"},{"metabolite_name":"saccharic acid"},{"metabolite_name":"ribose"},{"metabolite_name":"ribonic acid"},{"metabolite_name":"quinolinic acid"},{"metabolite_name":"quinic acid"},{"metabolite_name":"pyruvic acid"},{"metabolite_name":"pyrophosphate"},{"metabolite_name":"putrescine"},{"metabolite_name":"p-tolyl glucuronide"},{"metabolite_name":"pseudo-uridine"},{"metabolite_name":"propane-1,3-diol NIST"},{"metabolite_name":"proline"},{"metabolite_name":"pinitol"},{"metabolite_name":"pimelic acid"},{"metabolite_name":"phytol"},{"metabolite_name":"p-hydroxylphenyllactic acid"},{"metabolite_name":"phosphoethanolamine"},{"metabolite_name":"phosphate"},{"metabolite_name":"phenylethylamine"},{"metabolite_name":"phenylalanine"},{"metabolite_name":"phenylacetic acid"},{"metabolite_name":"phenol"},{"metabolite_name":"pentonic acid"},{"metabolite_name":"pentitol"},{"metabolite_name":"pentadecanoic acid"},{"metabolite_name":"parabanic acid NIST"},{"metabolite_name":"pantothenic acid"},{"metabolite_name":"palmitoleic acid"},{"metabolite_name":"palmitic acid"},{"metabolite_name":"oxoproline"},{"metabolite_name":"oxalic acid"},{"metabolite_name":"orotic acid"},{"metabolite_name":"ornithine"},{"metabolite_name":"oleic acid"},{"metabolite_name":"nonadecanoic acid"},{"metabolite_name":"nicotinic acid"},{"metabolite_name":"N-carbamoylaspartate"},{"metabolite_name":"N-acetylmannosamine"},{"metabolite_name":"n-acetyl-d-hexosamine"},{"metabolite_name":"N-acetylaspartic acid"},{"metabolite_name":"myristic acid"},{"metabolite_name":"myo-inositol"},{"metabolite_name":"mucic acid"},{"metabolite_name":"montanic acid"},{"metabolite_name":"monomyristin"},{"metabolite_name":"methylmalonic acid"},{"metabolite_name":"methyl O-D-galactopyranoside"},{"metabolite_name":"methionine sulfoxide"},{"metabolite_name":"methionine"},{"metabolite_name":"methanolphosphate"},{"metabolite_name":"melibiose"},{"metabolite_name":"mannose"},{"metabolite_name":"mannonic acid NIST"},{"metabolite_name":"mannitol"},{"metabolite_name":"maltotriose"},{"metabolite_name":"maltotriitol"},{"metabolite_name":"maltose"},{"metabolite_name":"maltitol"},{"metabolite_name":"malonic acid"},{"metabolite_name":"malic acid"},{"metabolite_name":"maleimide"},{"metabolite_name":"lyxose"},{"metabolite_name":"lyxitol"},{"metabolite_name":"lysine"},{"metabolite_name":"linolenic acid"},{"metabolite_name":"linoleic acid"},{"metabolite_name":"lignoceric acid"},{"metabolite_name":"levoglucosan"},{"metabolite_name":"leucine"},{"metabolite_name":"lauric acid"},{"metabolite_name":"lactitol"},{"metabolite_name":"lactic acid"},{"metabolite_name":"ketohexose"},{"metabolite_name":"isothreonic acid"},{"metabolite_name":"isothreitol"},{"metabolite_name":"isopentadecanoic acid"},{"metabolite_name":"isoleucine"},{"metabolite_name":"isoheptadecanoic acid NIST"},{"metabolite_name":"isocitric acid"},{"metabolite_name":"inositol-4-monophosphate"},{"metabolite_name":"inosine"},{"metabolite_name":"indoxyl sulfate"},{"metabolite_name":"indole-3-propionic acid"},{"metabolite_name":"indole-3-lactate"},{"metabolite_name":"indole-3-acetate"},{"metabolite_name":"hypoxanthine"},{"metabolite_name":"hydroxycarbamate NIST"},{"metabolite_name":"hydrocinnamic acid"},{"metabolite_name":"homocystine"},{"metabolite_name":"histidine"},{"metabolite_name":"hexuronic acid"},{"metabolite_name":"hexadecylglycerol NIST"},{"metabolite_name":"heptadecanoic acid"},{"metabolite_name":"guanosine"},{"metabolite_name":"guanine"},{"metabolite_name":"glycyl-proline"},{"metabolite_name":"glycolic acid"},{"metabolite_name":"glycine"},{"metabolite_name":"glycerol-alpha-phosphate"},{"metabolite_name":"glycerol-3-galactoside"},{"metabolite_name":"glycerol"},{"metabolite_name":"glyceric acid"},{"metabolite_name":"glutaric acid"},{"metabolite_name":"glutamine"},{"metabolite_name":"glutamic acid"},{"metabolite_name":"glucose-1-phosphate"},{"metabolite_name":"glucose"},{"metabolite_name":"gluconic acid lactone"},{"metabolite_name":"gluconic acid"},{"metabolite_name":"galacturonic acid"},{"metabolite_name":"galactonic acid"},{"metabolite_name":"galactinol"},{"metabolite_name":"fumaric acid"},{"metabolite_name":"fructose"},{"metabolite_name":"ferulic acid"},{"metabolite_name":"ethanol phosphate NIST"},{"metabolite_name":"enolpyruvate NIST"},{"metabolite_name":"dihydrocholesterol"},{"metabolite_name":"diglycerol"},{"metabolite_name":"digalacturonic acid"},{"metabolite_name":"D-erythro-sphingosine"},{"metabolite_name":"dehydroabietic acid"},{"metabolite_name":"daidzein"},{"metabolite_name":"cystine"},{"metabolite_name":"cysteine"},{"metabolite_name":"creatinine"},{"metabolite_name":"conduritol-beta-epoxide"},{"metabolite_name":"citrulline"},{"metabolite_name":"citric acid"},{"metabolite_name":"citramalic acid"},{"metabolite_name":"cis-gondoic acid"},{"metabolite_name":"cholesterol"},{"metabolite_name":"cerotinic acid"},{"metabolite_name":"cellobiose"},{"metabolite_name":"capric acid"},{"metabolite_name":"beta-sitosterol"},{"metabolite_name":"beta-glycerolphosphate"},{"metabolite_name":"beta-glutamic acid"},{"metabolite_name":"beta-gentiobiose"},{"metabolite_name":"beta-alanine"},{"metabolite_name":"behenic acid"},{"metabolite_name":"aspartic acid"},{"metabolite_name":"asparagine"},{"metabolite_name":"arachidonic acid"},{"metabolite_name":"arachidic acid"},{"metabolite_name":"arabitol"},{"metabolite_name":"arabinose"},{"metabolite_name":"aminomalonate"},{"metabolite_name":"alpha-aminoadipic acid"},{"metabolite_name":"allantoic acid"},{"metabolite_name":"alanine-alanine"},{"metabolite_name":"alanine"},{"metabolite_name":"adipic acid"},{"metabolite_name":"adenosine"},{"metabolite_name":"adenine"},{"metabolite_name":"aconitic acid"},{"metabolite_name":"5-methoxytryptamine"},{"metabolite_name":"5-aminovaleric acid"},{"metabolite_name":"5,6-dihydrouracil"},{"metabolite_name":"4-hydroxyphenylacetic acid"},{"metabolite_name":"4-hydroxybutyric acid"},{"metabolite_name":"4-hydroxybenzoate"},{"metabolite_name":"3-phenyllactic acid"},{"metabolite_name":"3-hydroxybutyric acid"},{"metabolite_name":"3-aminoisobutyric acid"},{"metabolite_name":"3,6-anhydro-D-glucose"},{"metabolite_name":"3,6-anhydro-D-galactose"},{"metabolite_name":"3,4-dihydroxycinnamic acid"},{"metabolite_name":"3-(4-hydroxyphenyl)propionic acid"},{"metabolite_name":"3 hydroxy-3-methylglutaric acid"},{"metabolite_name":"2-monoolein"},{"metabolite_name":"2-hydroxyvaleric acid"},{"metabolite_name":"2-hydroxyhexanoic acid"},{"metabolite_name":"2-hydroxyglutaric acid"},{"metabolite_name":"2-deoxytetronic acid"},{"metabolite_name":"2'-deoxyguanosine"},{"metabolite_name":"2-deoxyerythritol"},{"metabolite_name":"2-aminobutyric acid"},{"metabolite_name":"2,6-diaminopimelic acid"},{"metabolite_name":"2,5-dihydroxypyrazine NIST"},{"metabolite_name":"2,3-dihydroxybutanoic acid NIST"},{"metabolite_name":"1-monostearin"},{"metabolite_name":"1-monoolein"},{"metabolite_name":"1-methylinosine NIST"},{"metabolite_name":"1-methyladenosine"},{"metabolite_name":"1-kestose"},{"metabolite_name":"1,5-anhydroglucitol"},{"metabolite_name":"1,2-anhydro-myo-inositol NIST"}]
}

}